N-(1H-isoquinoline-2-carbonylamino)formamide

C11H11N3O2 — CID 20705871

IUPACN-(1H-isoquinoline-2-carbonylamino)formamide
SMILESO=CNNC(=O)N1C=Cc2ccccc2C1
InChIInChI=1S/C11H11N3O2/c15-8-12-13-11(16)14-6-5-9-3-1-2-4-10(9)7-14/h1-6,8H,7H2,(H,12,15)(H,13,16)
InChIKeyRXPYHASLMBUDPC-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.84
Rot. Bonds2

About N-(1H-isoquinoline-2-carbonylamino)formamide

N-(1H-isoquinoline-2-carbonylamino)formamide (PubChem CID 20705871) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(1H-isoquinoline-2-carbonylamino)formamide.

Molecular Properties

Compound NameN-(1H-isoquinoline-2-carbonylamino)formamide
PubChem CID20705871
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(1H-isoquinoline-2-carbonylamino)formamide
SMILESO=CNNC(=O)N1C=Cc2ccccc2C1
InChIInChI=1S/C11H11N3O2/c15-8-12-13-11(16)14-6-5-9-3-1-2-4-10(9)7-14/h1-6,8H,7H2,(H,12,15)(H,13,16)
InChIKeyRXPYHASLMBUDPC-UHFFFAOYSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-1H-isoquinoline-2-carbohydrazide
CID 54109174
N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide
CID 90791739
cyclopentyl(1H-isoquinolin-2-yl)methanone
CID 69095892
1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-isoquinoline-2-carboxamide
CID 10286523
2-[4-(1H-isoquinoline-2-carbonyloxy)cyclohexyl]acetic acid
CID 154089409
1H-isoquinolin-2-ylcarbamothioic S-acid
CID 90950749
(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide
CID 90461927
4-(1H-isoquinolin-2-yl)-3-methyl-4-oxobutanenitrile
CID 57150163
1H-isoquinolin-2-yl carbamate
CID 151878845
2-(1H-isoquinolin-2-yl)acetamide
CID 22641902
(3-methyl-1,2-oxazol-5-yl)methyl 1H-isoquinoline-2-carboxylate
CID 66654778

Frequently Asked Questions

What is the IUPAC name of N-(1H-isoquinoline-2-carbonylamino)formamide?
The IUPAC name of N-(1H-isoquinoline-2-carbonylamino)formamide (CID 20705871) is N-(1H-isoquinoline-2-carbonylamino)formamide.
What is the SMILES notation for N-(1H-isoquinoline-2-carbonylamino)formamide?
The canonical SMILES for N-(1H-isoquinoline-2-carbonylamino)formamide is O=CNNC(=O)N1C=Cc2ccccc2C1.
What is the InChIKey of N-(1H-isoquinoline-2-carbonylamino)formamide?
The InChIKey is RXPYHASLMBUDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-8-12-13-11(16)14-6-5-9-3-1-2-4-10(9)7-14/h1-6,8H,7H2,(H,12,15)(H,13,16).
What are the key properties of N-(1H-isoquinoline-2-carbonylamino)formamide?
N-(1H-isoquinoline-2-carbonylamino)formamide has a molecular weight of 217.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-isoquinoline-2-carbonylamino)formamide is sourced from PubChem (CID 20705871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).